CID 3282665

3-(4-isopropylphenyl)-1-propene

Structural Information

Molecular Formula
C12H16
SMILES
CC(C)C1=CC=C(C=C1)CC=C
InChI
InChI=1S/C12H16/c1-4-5-11-6-8-12(9-7-11)10(2)3/h4,6-10H,1,5H2,2-3H3
InChIKey
QBLYEXXCHLBGNO-UHFFFAOYSA-N
Compound name
1-propan-2-yl-4-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

160.1252 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.13248 136.8
[M+Na]+ 183.11442 150.3
[M+NH4]+ 178.15902 146.2
[M+K]+ 199.08836 142.4
[M-H]- 159.11792 139.8
[M+Na-2H]- 181.09987 144.2
[M]+ 160.12465 139.7
[M]- 160.12575 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe